SCHEMBL4196450

SCHEMBL4196450

CS(=O)(=O)Nc1cccc(-c2cncc(Nc3cccc(Cl)c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.58
PIP4K2B P78356 2/20 0.58
XDH P47989 1/20 0.57
SLC22A12 Q96S37 1/20 0.57
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
PIK3CB P42338 1/20 0.51
MET P08581 1/20 0.49
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
ALPL P05186 2/20 0.47
KIF11 P52732 1/20 0.46
PIK3CA P42336 1/20 0.45
NPC1 O15118 1/20 0.45
JAK2 O60674 1/20 0.45
RAB9A P51151 1/20 0.45
BRAF P15056 1/20 0.45
ABL1 P00519 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4200935 0.90 PIP4K2A (0.58) PIP4K2APIP4K2BXDHSLC22A12PTGS1
SCHEMBL4195767 0.87 PIP4K2A (0.56) PIP4K2APIP4K2BXDHSLC22A12PTGS1
SCHEMBL4196597 0.87 CYP1A2 (0.60) PIP4K2APIP4K2BXDHSLC22A12PTGS1
SCHEMBL4191762 0.83 PIP4K2A (0.59) PIP4K2APIP4K2BPIK3CBMETCYP1A2
SCHEMBL4193397 0.81 PIP4K2A (0.54) PIP4K2APIP4K2BPIK3CBCYP1A2CYP3A4
SCHEMBL2822751 0.81 PIP4K2A (0.56) PIP4K2APIP4K2BXDHSLC22A12PTGS1
SCHEMBL4191746 0.80 BRAF (0.68) PIP4K2APIP4K2BXDHSLC22A12BRAF
SCHEMBL4194464 0.80 PIP4K2A (0.55) PIP4K2APIP4K2BSLC22A12PIK3CBCYP1A2
SCHEMBL2317675 0.79 PTGS1 (0.57) PTGS1PTGS2CYP1A2CYP3A4KIF11
SCHEMBL29667013 0.79 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6CLK4PIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US claimed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP claimed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US disclosed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP disclosed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 PIP4K2A 748/4885PIP4K2B 633/4885XDH 1630/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PIP4K2A 748/4885PIP4K2B 633/4885XDH 1630/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PIP4K2A 748/4885PIP4K2B 633/4885XDH 1630/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA PIP4K2A 1599/4885PIP4K2B 1968/4885XDH 527/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.